8HIT
| Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4 | Descriptor: | Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL | Authors: | Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J. | Deposit date: | 2022-11-21 | Release date: | 2023-02-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer. Mabs, 15, 2023
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6YLN
| mTurquoise2 SG P212121 - Directional optical properties of fluorescent proteins | Descriptor: | EGFP, POTASSIUM ION | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | Deposit date: | 2020-04-07 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Directionality of light absorption and emission in representative fluorescent proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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8C3D
| Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2022-12-23 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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8CMS
| OTUB2 in covalent complex with LN5P45 | Descriptor: | (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide, Ubiquitin thioesterase OTUB2 | Authors: | Gan, J, de Vries, J. | Deposit date: | 2023-02-21 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2. Acs Chem.Biol., 18, 2023
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6PDZ
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6YM0
| Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | Descriptor: | Spike glycoprotein, heavy chain, light chain | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | Deposit date: | 2020-04-07 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.36 Å) | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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5K4I
| Crystal Structure of ERK2 in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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6N4F
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7OC7
| LasB, alpha-alkyl-N-aryl mercaptoacetamide | Descriptor: | (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2021-04-26 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors. Angew.Chem.Int.Ed.Engl., 61, 2022
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8CDM
| Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, Myosin A tail domain interacting protein, ... | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2023-01-31 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 To Be Published
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4YWC
| Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide | Descriptor: | Protein TIFY 7, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y. | Deposit date: | 2015-03-20 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling. Nature, 525, 2015
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6YLA
| Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | Deposit date: | 2020-04-06 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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7OFT
| Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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6PH9
| Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Cho, J, Zhou, P. | Deposit date: | 2019-06-25 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc.Natl.Acad.Sci.USA, 117, 2020
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8TJT
| The Fab fragment of an anti-glucagon receptor (GCGR) antibody | Descriptor: | anti-GCGR Fab heavy chain, anti-GCGR Fab light chain | Authors: | Dai, J, Carter, P.J, Sudhamsu, J, Kung, J. | Deposit date: | 2023-07-24 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG 1 antibody. Mabs, 16, 2024
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6PJ3
| Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 complex | Descriptor: | 1,2-ETHANEDIOL, 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, ... | Authors: | Cho, J, Zhou, P. | Deposit date: | 2019-06-27 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc.Natl.Acad.Sci.USA, 117, 2020
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4YMJ
| (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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6YF1
| FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | Descriptor: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF2
| FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF0
| FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution | Descriptor: | 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF3
| FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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8U4C
| Cryo-EM structure of long form insulin receptor (IR-B) with four IGF2 bound, symmetric conformation. | Descriptor: | Insulin receptor, Insulin-like growth factor II | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | Deposit date: | 2023-09-10 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Activation of the insulin receptor by insulin-like growth factor 2. Nat Commun, 15, 2024
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8U4E
| Cryo-EM structure of long form insulin receptor (IR-B) with three IGF2 bound, asymmetric conformation. | Descriptor: | Insulin receptor, Insulin-like growth factor II | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | Deposit date: | 2023-09-10 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Activation of the insulin receptor by insulin-like growth factor 2. Nat Commun, 15, 2024
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8U4B
| Cryo-EM structure of long form insulin receptor (IR-B) in the apo state | Descriptor: | Insulin receptor | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | Deposit date: | 2023-09-10 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Activation of the insulin receptor by insulin-like growth factor 2. Nat Commun, 15, 2024
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7O5M
| Crystal structure of S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803 cocrystallized with adenosine in the presence of Na+ cations | Descriptor: | ADENOSINE, Adenosylhomocysteinase, CHLORIDE ION, ... | Authors: | Malecki, P.H, Imiolczyk, B, Barciszewski, J, Czyrko-Horczak, J, Brzezinski, K. | Deposit date: | 2021-04-08 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical and structural insights into an unusual, alkali-metal-independent S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803. Acta Crystallogr D Struct Biol, 78, 2022
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